2-[1-[1-(5-carbamimidoylpyridin-2-yl)piperidin-4-yl]carbonylpiperidin-4-yl]ethanoic acid dihydrochloride

Systemtic Name: 2-[1-[1-(5-carbamimidoylpyridin-2-yl)piperidin-4-yl]carbonylpiperidin-4-yl]ethanoic acid dihydrochloride Openeye Name: 2-[1-[1-(5-carbamimidoyl-2-pyridyl)piperidine-4-carbonyl]-4-piperidyl]acetic acid dihydrochloride CAS Name: 2-[1-[[1-(5-carbamimidoyl-2-pyridinyl)-4-piperidinyl]-oxomethyl]-4-piperidinyl]acetic acid dihydrochloride IUPAC Name: 2-[1-[1-(5-carbamimidoylpyridin-2-yl)piperidine-4-carbonyl]piperidin-4-yl]acetic acid dihydrochloride Traditional Name: 2-[1-[1-(5-amidino-2-pyridyl)isonipecotoyl]-4-piperidyl]acetic acid dihydrochloride Formula: C19H29Cl2N5O3 MolecularWeight: 446.37126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(=O)O)C(=O)C2CCN(CC2)C3=NC=C(C=C3)C(=N)N.Cl.Cl

Isomeric SMILES

C1CN(CCC1CC(=O)O)C(=O)C2CCN(CC2)C3=NC=C(C=C3)C(=N)N.Cl.Cl

InChI

InChI=1S/C19H27N5O3.2ClH/c20-18(21)15-1-2-16(22-12-15)23-9-5-14(6-10-23)19(27)24-7-3-13(4-8-24)11-17(25)26;;/h1-2,12-14H,3-11H2,(H3,20,21)(H,25,26);2*1H